methyl 3-(4-cyano-4-phenyl-piperidin-1-yl)sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-(4-cyano-4-phenyl-piperidin-1-yl)sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[(4-cyano-4-phenyl-1-piperidyl)sulfonyl]thiophene-2-carboxylate CAS Name: 3-[(4-cyano-4-phenyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-cyano-4-phenylpiperidin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-cyano-4-phenyl-piperidino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S2/c1-24-17(21)16-15(7-12-25-16)26(22,23)20-10-8-18(13-19,9-11-20)14-5-3-2-4-6-14/h2-7,12H,8-11H2,1H3